2,2-dibromospiro[2.5]octane

C8H12Br2 — CID 13462187

IUPAC2,2-dibromospiro[2.5]octane
SMILESBrC1(Br)CC12CCCCC2
InChIInChI=1S/C8H12Br2/c9-8(10)6-7(8)4-2-1-3-5-7/h1-6H2
InChIKeyKXYDHPVVJUDGSE-UHFFFAOYSA-N
MW267.99 g/mol
LogP3.83
Rot. Bonds

About 2,2-dibromospiro[2.5]octane

2,2-dibromospiro[2.5]octane (PubChem CID 13462187) has the molecular formula C8H12Br2 and a molecular weight of 267.99 g/mol. Its IUPAC name is 2,2-dibromospiro[2.5]octane.

Molecular Properties

Compound Name2,2-dibromospiro[2.5]octane
PubChem CID13462187
Molecular FormulaC8H12Br2
Molecular Weight267.99 g/mol
Exact Mass265.93
IUPAC Name2,2-dibromospiro[2.5]octane
SMILESBrC1(Br)CC12CCCCC2
InChIInChI=1S/C8H12Br2/c9-8(10)6-7(8)4-2-1-3-5-7/h1-6H2
InChIKeyKXYDHPVVJUDGSE-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.99
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dibromospiro[2.5]octane?
The IUPAC name of 2,2-dibromospiro[2.5]octane (CID 13462187) is 2,2-dibromospiro[2.5]octane.
What is the SMILES notation for 2,2-dibromospiro[2.5]octane?
The canonical SMILES for 2,2-dibromospiro[2.5]octane is BrC1(Br)CC12CCCCC2.
What is the InChIKey of 2,2-dibromospiro[2.5]octane?
The InChIKey is KXYDHPVVJUDGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12Br2/c9-8(10)6-7(8)4-2-1-3-5-7/h1-6H2.
What are the key properties of 2,2-dibromospiro[2.5]octane?
2,2-dibromospiro[2.5]octane has a molecular weight of 267.99 g/mol, XLogP of 3.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibromospiro[2.5]octane is sourced from PubChem (CID 13462187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).